4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine

C29H42N4 — CID 142511082

IUPAC4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine
SMILESC=C(CC)/C(C)=C/C(=N\C)C1=CC(=C2CC2)N2C=C(N(CCCCC)CC(C)C)C=CC2=N1
InChIInChI=1S/C29H42N4/c1-8-10-11-16-32(19-21(3)4)25-14-15-29-31-27(18-28(24-12-13-24)33(29)20-25)26(30-7)17-23(6)22(5)9-2/h14-15,17-18,20-21H,5,8-13,16,19H2,1-4,6-7H3/b23-17+,30-26+
InChIKeyNPGXYVQFJSDSRZ-JCCXHPNXSA-N
MW446.68 g/mol
LogP7.18
Rot. Bonds11

About 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine

4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine (PubChem CID 142511082) has the molecular formula C29H42N4 and a molecular weight of 446.68 g/mol. Its IUPAC name is 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine.

Molecular Properties

Compound Name4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine
PubChem CID142511082
Molecular FormulaC29H42N4
Molecular Weight446.68 g/mol
Exact Mass446.34
IUPAC Name4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine
SMILESC=C(CC)/C(C)=C/C(=N\C)C1=CC(=C2CC2)N2C=C(N(CCCCC)CC(C)C)C=CC2=N1
InChIInChI=1S/C29H42N4/c1-8-10-11-16-32(19-21(3)4)25-14-15-29-31-27(18-28(24-12-13-24)33(29)20-25)26(30-7)17-23(6)22(5)9-2/h14-15,17-18,20-21H,5,8-13,16,19H2,1-4,6-7H3/b23-17+,30-26+
InChIKeyNPGXYVQFJSDSRZ-JCCXHPNXSA-N
XLogP7.18
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine?
The IUPAC name of 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine (CID 142511082) is 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine.
What is the SMILES notation for 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine?
The canonical SMILES for 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine is C=C(CC)/C(C)=C/C(=N\C)C1=CC(=C2CC2)N2C=C(N(CCCCC)CC(C)C)C=CC2=N1.
What is the InChIKey of 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine?
The InChIKey is NPGXYVQFJSDSRZ-JCCXHPNXSA-N. The full InChI is InChI=1S/C29H42N4/c1-8-10-11-16-32(19-21(3)4)25-14-15-29-31-27(18-28(24-12-13-24)33(29)20-25)26(30-7)17-23(6)22(5)9-2/h14-15,17-18,20-21H,5,8-13,16,19H2,1-4,6-7H3/b23-17+,30-26+.
What are the key properties of 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine?
4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine has a molecular weight of 446.68 g/mol, XLogP of 7.18, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine is sourced from PubChem (CID 142511082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).